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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Reversible function switching of Ag catalyst in Mg/S battery with chloride-containing electrolyte

Rechargeable Mg/S batteries suffer from fast capacity decay because of the difficult re-oxidation of MgS. To tackle this problem, we used Ag catalyst in Mg/S cells with Cl- containing electrolyte, and achieved a greatly improved specific capacity of ~1200 mAh•g -1 and a long cycling life of 100 cycles. To understand the mechanism behind this improvement, we employed in-situ synchrotron radiation X-ray diffraction and in-situ X-ray absorption spectroscopy tools to study the reversible phase transitions during charge/discharge cycling. Additionally, the in-situ experiment results revealed that, at deeply charged state, Ag reacted with Cl- in the electrolyte to form the AgCl interfacial layer which prevented the physical contact of Ag with elemental S and avoided the formation of Ag 2 S; at early discharged state, AgCl transformed back to metallic Ag, which guaranteed its catalytic effectiveness for MgS decomposition. This reversible function switching mechanism of Ag catalyst is completely different from that in Mg/S cells using other catalysts or electrolytes.

25 ENERGY STORAGE↗
DOE OSTI2022

Design of a finline antenna for current drive in TST-2

A novel “finline” antenna was designed to excite lower-hybrid waves (LHWs) for plasma current drive at 2.45 GHz in the TST-2 spherical tokamak. A periodic fin array acts as a transmission line for electromagnetic surface waves. Cold tests confirmed propagation of the electromagnetic surface wave on the fin array which was dominantly Transverse Magnetic (TM). Unlike the conventional waveguide array “grill” antenna, the finline antenna requires only two ports to feed all the elements, and calculations show that there is little reflection regardless of the plasma conditions in front of the antenna. Characteristics of the microwave transmission on the fin array were investigated using a three-dimensional full-wave simulation and the fin geometry was tuned to achieve the desired refractive index. Coupling to LHWs under typical TST-2 scrape-off layer conditions was confirmed by the simulation. Finally, to demonstrate LHW excitation, the finline antenna was energized in the presence of a plasma generated by another 200 MHz LH antenna. The x-ray radiation showed strong enhancement during the finline antenna pulse which indicated successful generation of fast electrons by LHWs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Broadband impedance modeling and single bunch instabilities estimations of the advanced light source upgrade project

We report the Advanced Light Source Upgrade (ALS-U) is a 4th generation diffraction-limited soft x-ray radiation source, consisting of a new accumulator ring (AR) and a new storage ring (SR). In both rings coupling-impedance driven instabilities need careful evaluation to ensure meeting the machine’s high-performance goals. This paper presents the workflow followed in building the impedance models and the beam-stability analysis based on those models. We follow the commonly accepted approach of separating the resistive-wall and the geometric parts of the impedance; the former is obtained by analytical formulas, the latter by numerical electro-magnetic codes (primarily CST Studio software) with perfectly-conducting boundary conditions. Impedance budgets are established and pseudo-Green functions calculated to be used in beam dynamics studies. We also present various ways to cross-check simulation results for reliable impedance modeling. Finally, the crucial single-bunch instability current thresholds for various operation modes are determined and discussed.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2022

Mercury Reduction, Uptake, and Species Transformation by Freshwater Alga Chlorella vulgaris under Sunlit and Dark Conditions

As a major entry point of mercury (Hg) to aquatic food webs, algae play an important role in taking up and transforming Hg species in aquatic ecosystems. However, little is known how and to what extent Hg reduction, uptake, and species transformations are mediated by algal cells and their exudates, algal organic matter (AOM), under either sunlit or dark conditions. In this study, using Chlorella vulgaris (CV) as one of the most prevalent freshwater model algal species, we show that solar irradiation could enhance the reduction of mercuric Hg(II) to elemental Hg(0) by both CV cells and AOM. AOM reduced more Hg(II) than algal cells themselves due to cell surface adsorption and uptake of Hg(II) inside the cells under solar irradiation. Synchrotron radiation X-ray absorption near-edge spectroscopy (SR-XANES) analyses indicate that sunlight facilitated the transformation of Hg to less bioavailable species, such as β-HgS and Hg-phytochelatins, compared to Hg(Cysteine) 2 -like species formed in algal cells in the dark. These findings highlight important functional roles and potential mechanisms of algae in Hg reduction and immobilization under varying lighting conditions and how these processes may modulate Hg cycling and bioavailability in the aquatic environment.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Understanding the Structure and Dynamics of Complex Biomembrane Interactions by Neutron Scattering Techniques

The membrane is one of the key structural materials of biology at the cellular level. Composed predominantly of a bilayer of lipids with embedded and bound proteins, it defines the boundaries of the cell and many organelles essential to life and therefore is involved in almost all biological processes. Membrane-specific interactions, such as drug binding to a membrane receptor or the interactions of an antimicrobial compound with the lipid matrix of a pathogen membrane, are of interest across the scientific disciplines. Herein we present a review, aimed at nonexperts, of the major neutron scattering techniques used in membrane studies: small-angle neutron scattering, neutron membrane diffraction, neutron reflectometry, quasielastic neutron scattering, and neutron spin echo. Neutron scattering techniques are well suited to studying biological membranes. The nondestructive nature of cold neutrons means that samples can be measured for long periods without fear of beam damage from ultraviolet, electron, or X-ray radiation, and neutron beams are highly penetrating, thus offering flexibility in samples and sample environments. Most important is the strong difference in neutron scattering lengths between the two most abundant forms of hydrogen, protium and deuterium. Changing the relative amounts of protium/deuterium in a sample allows the production of a series of neutron scattering data sets, enabling the observation of differing components within complex membrane architectures. This approach can be as simple as using the naturally occurring neutron contrast between different biomolecules to study components in a complex by changing the solution H 2 O/D 2 O ratio or as complex as selectively labeling individual components with hydrogen isotopes. This review presents an overview of each experimental technique with the neutron instrument configuration, related sample preparation and sample environment, and data analysis, highlighted by a special emphasis on using prominent neutron contrast to understand structure and dynamics. This review gives researchers a practical introduction to the often enigmatic suite of neutron beamlines, thereby lowering the barrier to taking advantage of these large-facility techniques to achieve new understandings of membranes and their interactions with other molecules.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Multifunctional two-dimensional metal-organic frameworks for radionuclide sequestration and detection

Two lanthanide containing porous coordination polymers, [Ln2(bpdc)6(phen)2] · nH2O (1) and [Ln2(bpdc)6(terpy)2] · 3H2O (2) (Ln = either Pr, Nd or Sm-Dy); bpdc: 2,2'-bipyridine-5,5'-dicarboxylic acid, phen: 1,10-phenanthroline, and terpy: 2,2':6',2''-terpyridine, have been hydrothermally synthesized and structurally characterized by powder and single crystal X-ray diffraction. The crystallographic analyses reveal compounds 1 and 2 feature Ln3+ containing dimeric nodes that form a porous two-dimensional (2D) and non-porous three-dimensional (3D) framework, respectively. Each material is stable in aqueous media between pH 3-10 and exhibits modest thermal stability to ~400ºC. Notably, a portion of the phen and bpdc ligands in 1 can be removed thermally, without compromising the crystal structure, causing the surface area and pore volume to increase. The optical properties of 1 and 2 with Gd3+, Sm3+, Tb3+, and Eu3+ were explored in the solid-state using absorbance, fluorescence, and lifetime spectroscopies. The analyses reveal a complex blend of metal and ligand emission in the materials containing Sm3+ and Tb3+, while those featuring Eu3+ are dominated by intense metal-based emission. Compound 1 with Eu3+ displayed promise for the capture and detection of the uranyl cation, (UO2)2+, from aqueous media. In short, uranyl capture was observed at pH 4 and the adsorption thereof was detectable via vibrational and fluorescence spectroscopies and colorimetrically as the off-white color of 1 turned yellow with uptake. Finally, both 1 and 2 with Eu3+ produce bright red emission upon irradiation with Cu ka X-ray radiation (8.04 keV) and are candidate materials for applications in solid-state scintillation.

Surbella, Robert G.↗
DOE OSTI2023

Enabling rapid X-ray CT characterisation for additive manufacturing using CAD models and deep learning-based reconstruction

Metal additive manufacturing (AM) offers flexibility and cost-effectiveness for printing complex parts but is limited to few alloys. Qualifying new alloys requires process parameter optimisation to produce consistent, high-quality components. High-resolution X-ray computed tomography (XCT) has not been effective for this task due to artifacts, slow scan speed, and costs. We propose a deep learning-based approach for rapid XCT acquisition and reconstruction of metal AM parts, leveraging computer-aided design models and physics-based simulations of nonlinear interactions between X-ray radiation and metals. This significantly reduces beam hardening and common XCT artifacts. We demonstrate high-throughput characterisation of over a hundred AlCe alloy components, quantifying improvements in characterisation time and quality compared to high-resolution microscopy and pycnometry. Our approach facilitates investigating the impact of process parameters and their geometry dependence in metal AM.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Accurate and confident prediction of electron beam longitudinal properties using spectral virtual diagnostics

Abstract Longitudinal phase space (LPS) provides a critical information about electron beam dynamics for various scientific applications. For example, it can give insight into the high-brightness X-ray radiation from a free electron laser. Existing diagnostics are invasive, and often times cannot operate at the required resolution. In this work we present a machine learning-based Virtual Diagnostic (VD) tool to accurately predict the LPS for every shot using spectral information collected non-destructively from the radiation of relativistic electron beam. We demonstrate the tool’s accuracy for three different case studies with experimental or simulated data. For each case, we introduce a method to increase the confidence in the VD tool. We anticipate that spectral VD would improve the setup and understanding of experimental configurations at DOE’s user facilities as well as data sorting and analysis. The spectral VD can provide confident knowledge of the longitudinal bunch properties at the next generation of high-repetition rate linear accelerators while reducing the load on data storage, readout and streaming requirements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

A multi-technique approach to understanding delithiation damage in LiCoO2 thin films

Abstract We report on the delithiation of LiCoO 2 thin films using oxalic acid (C 2 H 2 O 4 ) with the goal of understanding the structural degradation of an insertion oxide associated with Li chemical extraction. Using a multi-technique approach that includes synchrotron radiation X-ray diffraction, scanning electron microscopy, micro Raman spectroscopy, photoelectron spectroscopy and conductive atomic force microscopy we reveal the balance between selective Li extraction and structural damage. We identify three different delithiation regimes, related to surface processes, bulk delithiation and damage generation. We find that only a fraction of the grains is affected by the delithiation process, which may create local inhomogeneities. However, the bulk delithiation regime is effective to delithiate the LCO film. All experimental evidence collected indicates that the delithiation process in this regime mimics the behavior of LCO upon electrochemical delithiation. We discard the formation of Co oxalate during the chemical extraction process. In conclusion, the chemical route to Li extraction provides additional opportunities to investigate delithiation while avoiding the complications associated with electrolyte breakdown and simplifying in-situ measurements.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Spatial control of perilacunar canalicular remodeling during lactation

Abstract Osteocytes locally remodel their surrounding tissue through perilacunar canalicular remodeling (PLR). During lactation, osteocytes remove minerals to satisfy the metabolic demand, resulting in increased lacunar volume, quantifiable with synchrotron X-ray radiation micro-tomography (SRµCT). Although the effects of lactation on PLR are well-studied, it remains unclear whether PLR occurs uniformly throughout the bone and what mechanisms prevent PLR from undermining bone quality. We used SRµCT imaging to conduct an in-depth spatial analysis of the impact of lactation and osteocyte-intrinsic MMP13 deletion on PLR in murine bone. We found larger lacunae undergoing PLR are located near canals in the mid-cortex or endosteum. We show lactation-induced hypomineralization occurs 14 µm away from lacunar edges, past a hypermineralized barrier. Our findings reveal that osteocyte-intrinsic MMP13 is crucial for lactation-induced PLR near lacunae in the mid-cortex but not for whole-bone resorption. This research highlights the spatial control of PLR on mineral distribution during lactation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Improved robustness of sequentially deposited potassium cesium antimonide photocathodes achieved by increasing the potassium content towards theoretical stoichiometry

Alkali antimonide semiconductor photocathodes are promising candidates for high-brightness electron sources for advanced accelerators, including free-electron lasers (FEL), due to their high quantum efficiency (QE), low emittance, and high temporal resolution. Two challenges with these photocathodes are (1) the lack of a universal deposition recipe to achieve crystal stoichiometries and (2) their high susceptibility to vacuum contamination, which restricts their operation pressure to ultrahigh vacuums and leads to a short lifetime and low extraction charge. To resolve these issues, it is essential to understand the elemental compositions of deposited photocathodes and correlate them to robustness. Here, we report depth profiles for potassium cesium antimonide photocathodes, which were investigated using synchrotron radiation x-ray photoelectron spectroscopy, and the robustness of those photocathodes. We prepared two types of photocathodes with different potassium contents via sequential thermal evaporation. Depth profiles revealed that the photocathodes with a potassium deficit had excess cesium at the surface, while the ratio of potassium and cesium to antimony decreased rapidly within the film. In contrast, the photocathodes with sufficient potassium had close to the theoretical stoichiometry of K 2 CsSb at the surface and maintained that stoichiometry for over half the entire film thickness. Both photocathode types had a similar maximum QE at 532 nm; however, exposure to oxygen revealed that the photocathode with a crystalline stoichiometry of K 2 CsSb maintained QE at one order of magnitude higher pressure compared to its potassium-deficit counterpart. These results highlight the importance of synthesizing potassium cesium antimonide photocathodes with sufficient potassium to achieve the theoretical crystalline stoichiometry for both high QE and improved robustness.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Review of pulsed power-driven high energy density physics research on Z at Sandia

Pulsed power accelerators compress electrical energy in space and time to provide versatile experimental platforms for high energy density and inertial confinement fusion science. The 80-TW “Z” pulsed power facility at Sandia National Laboratories is the largest pulsed power device in the world today. Z discharges up to 22 MJ of energy stored in its capacitor banks into a current pulse that rises in 100 ns and peaks at a current as high as 30 MA in low-inductance cylindrical targets. Considerable progress has been made over the past 15 years in the use of pulsed power as a precision scientific tool. This paper reviews developments at Sandia in inertial confinement fusion, dynamic materials science, x-ray radiation science, and pulsed power engineering, with an emphasis on progress since a previous review of research on Z in Physics of Plasmas in 2005.

Sinars, D. B. (ORCID:0000000155473532)↗
DOE OSTI2021

Simulation of decelerating streamers in inhomogeneous atmosphere with implications for runaway electron generation

The dynamics of positive and negative streamers is numerically simulated in atmospheric pressure air in the range of parameters corresponding to the streamer deceleration and termination in the middle of the discharge gap. A detailed comparison with experiments in air at constant and variable density demonstrates good agreement between the 2D simulation results and the observations. It is shown that positive and negative streamers behave in radically different ways when decelerating and stopping. When the head potential drops, the negative streamer transits to the mode in which the propagation is due to the forward electron drift. In this case, the radius of the ionization wave front increases, whereas the electric field at the streamer head decreases further and the streamer stops. Its head diameter continues to increase due to the slow drift of free electrons in the residual under-breakdown field. On the contrary, the only advancement mechanism for a positive streamer with a decreasing head potential is a decrease in the effective radius of the ionization wave, leading to a local increase in the electric field. This mechanism makes it possible to compensate for the reduction in the efficiency of gas photoionization at small head diameters. A qualitative 1D model is suggested to describe streamer deceleration and stopping for different discharge polarities. Estimates show that, during positive streamer stopping, the local electric field at the streamer head can exceed the threshold corresponding to the transition of electrons to the runaway mode when the head potential (relative to the surrounding space) decreases to~1.2 kV in atmospheric pressure air. In this case, pulsed generation of a beam of runaway electrons directed into the channel of a stopping positive streamer can occur. The energy of the formed pulsed electron beam depends on the intensity of photoionization in front of the streamer head. This energy can vary from 700 V (when increasing the photoionization rate by a factor of 10 with respect to the value in atmospheric pressure air) to 2.6 kV (when decreasing the photoionization rate by a factor of 1000). It is possible that this behavior of decelerating positive streamers can explain the observed bursts of x-ray radiation during the streamer propagation in long air gaps.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Work function lowering of LaB 6 by monolayer hexagonal boron nitride coating for improved photo- and thermionic-cathodes

We report a lowering of work function for lanthanum hexaboride (LaB 6 ) by monolayer hexagonal boron nitride (hBN) coating. Photoemission electron microcopy (PEEM) and thermionic emission electron microscopy (TEEM) both revealed that the hBN coated region of a LaB 6 (100) single crystal has a lower work function compared to the bare (i.e., non-coated) and graphene coated regions. A broad and uniform brighter image of the hBN coated region in PEEM was quantitatively supported by a 0.4 eV decrease in the work function in photoelectron spectra compared to the bare region. TEEM results were consistent in that the hBN coated region exhibited thermionic emission at 905 °C, whereas the bare and graphene coated regions did not. A larger decrease in the work function for hBN coated LaB 6 (100) compared to graphene coated LaB 6 (100) was qualitatively supported by our density functional theory calculations. Adding an oxide layer in the calculations improved consistency between the calculation and experimental results. We followed up our calculations with synchrotron-radiation x-ray photoelectron spectroscopy and confirmed the presence of an oxide layer on our LaB 6 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Modeling the energetic tail of a dusty plasma's electron energy distribution and its effect on dust grain charge and behavior

A model for a weakly ionized dusty plasma is proposed in which UV or x-ray radiation continuously creates free electrons at high energy, which then cool through collisions with a cold neutral gas before recombining. The transition of a free electron from high energy at birth to low energy at demise implies that the electron energy distribution is not the simple Maxwellian of an isolated system in thermal equilibrium, but instead has a high-energy tail that depends on the recombination time. This tail can have a major effect on dust grain charging because the flux of tail electrons can be substantial even if the density of tail electrons is small. Detailed analytic and numerical calculations of dust grain charging show that situations exist in which a small high-energy tail dominates charge behavior. This implies that dust grain charge in terrestrial and space dusty plasmas may be significantly underestimated if a Maxwellian distribution is assumed and the non-thermal dynamics are neglected.

Physics↗